ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate

C17H16ClNO4 — CID 507323

IUPACethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-3-23-17(21)13-10-11(8-9-14(13)18)19-16(20)12-6-4-5-7-15(12)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyDXRFHOBQCQPXGT-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.78
Rot. Bonds5

About ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate

ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate (PubChem CID 507323) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
PubChem CID507323
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Nameethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-3-23-17(21)13-10-11(8-9-14(13)18)19-16(20)12-6-4-5-7-15(12)22-2/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyDXRFHOBQCQPXGT-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate (CID 507323) is ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate is CCOC(=O)c1cc(NC(=O)c2ccccc2OC)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate?
The InChIKey is DXRFHOBQCQPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-3-23-17(21)13-10-11(8-9-14(13)18)19-16(20)12-6-4-5-7-15(12)22-2/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate?
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 507323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).